SCHEMBL716807

SCHEMBL716807

COc1ccc(-n2cc(CO)c(CN3CCOCC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
KDM5B Q9UGL1 2/20 0.46
P2RX7 Q99572 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
MAPT P10636 2/20 0.41
SLC2A1 P11166 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL719884 0.81 KDM5B (0.55) SMN1; SMN2KDM4EKDM5BALDH1A1TSHR
SCHEMBL724099 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EKDM5BALDH1A1CYP2D6
SCHEMBL718670 0.76 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EHTTKDM5BALDH1A1
SCHEMBL2908994 0.73 ALDH1A1 (0.52) SMN1; SMN2KDM4ERAB9AHTTKDM5B
SCHEMBL20856903 0.72 RAB9A (0.59) SMN1; SMN2KDM4ERAB9AHTTP2RX7
SCHEMBL717969 0.71 RAB9A (0.61) SMN1; SMN2KDM4ERAB9AHTTP2RX7
SCHEMBL18098555 0.70 KDM5B (0.57) SMN1; SMN2KDM4ERAB9AHTTKDM5B
SCHEMBL5755331 0.69 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EHTTALDH1A1CYP2D6
SCHEMBL11247064 0.68 KDM4E (0.77) SMN1; SMN2KDM4ERAB9AHTTALDH1A1
SCHEMBL5753998 0.68 CYP2A13 (0.53) SMN1; SMN2KDM4ERAB9AALDH1A1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMN1; SMN2 1051/4885KDM4E 1907/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMN1; SMN2 1051/4885KDM4E 1907/4885RAB9A 2454/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.